2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide

C19H20F3NO2S — CID 8928696

IUPAC2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(C)cc(OCCSCC(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C19H20F3NO2S/c1-13-9-14(2)11-15(10-13)25-7-8-26-12-18(24)23-17-6-4-3-5-16(17)19(20,21)22/h3-6,9-11H,7-8,12H2,1-2H3,(H,23,24)
InChIKeyNOWKPTICYOVYCO-UHFFFAOYSA-N
MW383.44 g/mol
LogP5.07
Rot. Bonds7

About 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 8928696) has the molecular formula C19H20F3NO2S and a molecular weight of 383.44 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID8928696
Molecular FormulaC19H20F3NO2S
Molecular Weight383.44 g/mol
Exact Mass383.12
IUPAC Name2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(C)cc(OCCSCC(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C19H20F3NO2S/c1-13-9-14(2)11-15(10-13)25-7-8-26-12-18(24)23-17-6-4-3-5-16(17)19(20,21)22/h3-6,9-11H,7-8,12H2,1-2H3,(H,23,24)
InChIKeyNOWKPTICYOVYCO-UHFFFAOYSA-N
XLogP5.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.44
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetamide
CID 8928675
3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19168027
2-(3,5-dimethoxyphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7713877
2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetic acid
CID 43091595
2-[2-(2-tert-butylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 18083809
2-(2-morpholin-4-ylethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 134065021
2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 8928716
2-[2-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl]acetic acid
CID 119218262
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(2-iodophenyl)acetamide
CID 42998398
N-(2-ethylphenyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide
CID 31543597
2-[methyl-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 25163639
N-[2-(trifluoromethyl)phenyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978103

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 8928696) is 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide is Cc1cc(C)cc(OCCSCC(=O)Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NOWKPTICYOVYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2S/c1-13-9-14(2)11-15(10-13)25-7-8-26-12-18(24)23-17-6-4-3-5-16(17)19(20,21)22/h3-6,9-11H,7-8,12H2,1-2H3,(H,23,24).
What are the key properties of 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 383.44 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 8928696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).